› 7v41

X-ray diffraction
1.45Å resolution

Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene.

Released:
DOI: 10.2210/pdb7v41/pdb
PDB entry 7v41 coloured by chain, front view.
PDB entry 7v41 coloured by chain, side view.
PDB entry 7v41 coloured by chain, top view.
Source organism: Rhodococcus coprophilus
Primary publication:
Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Chen CC, Dai M, Zhang L, Zhao J, Zeng W, Shi M, Huang JW, Liu W, Guo RT, Li A
ACS Catalysis 12 2831-2839 (2022)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100687 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
p450tol monooxygenase Chain: A
Molecule details ›
Chain: A
Length: 440 amino acids
Theoretical weight: 49.41 KDa
Source organism: Rhodococcus coprophilus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A088FL33 (Residues: 1-440; Coverage: 100%)
Sequence domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand MBN 1 x MBN
Ligand HEM 1 x HEM
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE TPS 05A
Spacegroup: P3221
Unit cell:
a: 111.164Å b: 111.164Å c: 80.576Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.148 0.147 0.17
Expression system: Escherichia coli BL21(DE3)

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